SCHEMBL2380798

SCHEMBL2380798

COc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3cc(C#N)ccc3Oc3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
GAA P10253 1/20 0.54
CCR6 P51684 2/20 0.49
EPHX2 P34913 7/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
EPHX1 P07099 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXA2R P21731 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12253089 0.95 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19GAACCR6
SCHEMBL2380882 0.93 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19GAAEPHX2
SCHEMBL12253083 0.90 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19GAAEPHX2
SCHEMBL12253174 0.86 KMT2A (0.51) GAAEPHX2KMT2ANPC1MEN1
SCHEMBL2379471 0.86 EPHX2 (0.48) EPHX2KMT2ANPC1MEN1EPHX1
SCHEMBL2380877 0.86 TBXA2R (0.44) CCR6EPHX2KMT2ANPC1MEN1
SCHEMBL2380187 0.85 TBXA2R (0.55) CCR6EPHX2KMT2ANPC1MEN1
SCHEMBL2380255 0.84 TBXA2R (0.50) KMT2ANPC1MEN1TBXA2R
SCHEMBL2380749 0.83 TBXA2R (0.46) CCR6EPHX2KMT2ANPC1MEN1
SCHEMBL2380152 0.83 TBXA2R (0.40) CCR6EPHX2KMT2ANPC1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547655-B1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
EP-2547655-B1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-20140221428-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-20140221428-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-20140221428-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8741894-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8741894-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8741894-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
EP-2547655-A2 ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2013-01-23 EP disclosed
WO-2011116161-A2 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed
WO-2011116161-A2 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed
US-20110230487-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20110230487-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20110230487-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2011-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230487-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CYP1A2 3535/4885CYP3A4 3259/4885CYP2C19 4157/4885
US-20140221428-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 CYP1A2 3535/4885CYP3A4 3259/4885CYP2C19 4157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.